N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

C25H26FN3O4 — CID 46028113

IUPACN-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C2CC2)c1
InChIInChI=1S/C25H26FN3O4/c1-31-19-6-4-5-17(15-19)24(30)29(18-9-10-18)16-21-23(20-7-2-3-8-22(20)26)27-33-25(21)28-11-13-32-14-12-28/h2-8,15,18H,9-14,16H2,1H3
InChIKeyOVNZICCGVKKAMF-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.13
Rot. Bonds7

About N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (PubChem CID 46028113) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
PubChem CID46028113
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC NameN-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C2CC2)c1
InChIInChI=1S/C25H26FN3O4/c1-31-19-6-4-5-17(15-19)24(30)29(18-9-10-18)16-21-23(20-7-2-3-8-22(20)26)27-33-25(21)28-11-13-32-14-12-28/h2-8,15,18H,9-14,16H2,1H3
InChIKeyOVNZICCGVKKAMF-UHFFFAOYSA-N
XLogP4.13
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide with MolForge

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Related Compounds

N-cyclopropyl-4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028544
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 93207780
3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 42844060
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93222599
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93222637
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42682736
N-[(2R)-butan-2-yl]-4-fluoro-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222594
1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 42843847
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
CID 46028142
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
CID 93222607
N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11648323
N-[(2R)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
CID 93222596

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (CID 46028113) is N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The InChIKey is OVNZICCGVKKAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-31-19-6-4-5-17(15-19)24(30)29(18-9-10-18)16-21-23(20-7-2-3-8-22(20)26)27-33-25(21)28-11-13-32-14-12-28/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide has a molecular weight of 451.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 46028113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).